2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile

C14H20N2O — CID 115131364

IUPAC2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile
SMILESCCc1ccc(OC)c(CCN(C)CC#N)c1
InChIInChI=1S/C14H20N2O/c1-4-12-5-6-14(17-3)13(11-12)7-9-16(2)10-8-15/h5-6,11H,4,7,9-10H2,1-3H3
InChIKeyRGIYHXPIZMAMAF-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.26
Rot. Bonds6

About 2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile

2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile (PubChem CID 115131364) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile.

Molecular Properties

Compound Name2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile
PubChem CID115131364
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile
SMILESCCc1ccc(OC)c(CCN(C)CC#N)c1
InChIInChI=1S/C14H20N2O/c1-4-12-5-6-14(17-3)13(11-12)7-9-16(2)10-8-15/h5-6,11H,4,7,9-10H2,1-3H3
InChIKeyRGIYHXPIZMAMAF-UHFFFAOYSA-N
XLogP2.26
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]acetonitrile
CID 115131363
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 115005474
3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol
CID 115122416
2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040130
3-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]propanenitrile
CID 115231191
[(5-ethyl-2-methoxyphenyl)methyl-methylamino]methanethiol
CID 115228081
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile
CID 115131065
1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile
CID 116837091
3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 94694459
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
N'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
CID 115227004
4-(3-ethyl-4-methoxyphenyl)butanenitrile
CID 96657172

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile?
The IUPAC name of 2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile (CID 115131364) is 2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile.
What is the SMILES notation for 2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile?
The canonical SMILES for 2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile is CCc1ccc(OC)c(CCN(C)CC#N)c1.
What is the InChIKey of 2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile?
The InChIKey is RGIYHXPIZMAMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-12-5-6-14(17-3)13(11-12)7-9-16(2)10-8-15/h5-6,11H,4,7,9-10H2,1-3H3.
What are the key properties of 2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile?
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile is sourced from PubChem (CID 115131364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).